1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one

C27H58O5Si2 — CID 87593483

IUPAC1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one
SMILESCO[Si](C)(CCCCCCCCC(C)C(=O)C(C)CCCCCCCC[Si](C)(OC)OC)OC
InChIInChI=1S/C27H58O5Si2/c1-25(21-17-13-9-11-15-19-23-33(7,29-3)30-4)27(28)26(2)22-18-14-10-12-16-20-24-34(8,31-5)32-6/h25-26H,9-24H2,1-8H3
InChIKeyFENADDSUGMNFIB-UHFFFAOYSA-N
MW518.93 g/mol
LogP8.02
Rot. Bonds24

About 1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one

1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one (PubChem CID 87593483) has the molecular formula C27H58O5Si2 and a molecular weight of 518.93 g/mol. Its IUPAC name is 1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one.

Molecular Properties

Compound Name1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one
PubChem CID87593483
Molecular FormulaC27H58O5Si2
Molecular Weight518.93 g/mol
Exact Mass518.38
IUPAC Name1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one
SMILESCO[Si](C)(CCCCCCCCC(C)C(=O)C(C)CCCCCCCC[Si](C)(OC)OC)OC
InChIInChI=1S/C27H58O5Si2/c1-25(21-17-13-9-11-15-19-23-33(7,29-3)30-4)27(28)26(2)22-18-14-10-12-16-20-24-34(8,31-5)32-6/h25-26H,9-24H2,1-8H3
InChIKeyFENADDSUGMNFIB-UHFFFAOYSA-N
XLogP8.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.93
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one?
The IUPAC name of 1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one (CID 87593483) is 1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one.
What is the SMILES notation for 1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one?
The canonical SMILES for 1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one is CO[Si](C)(CCCCCCCCC(C)C(=O)C(C)CCCCCCCC[Si](C)(OC)OC)OC.
What is the InChIKey of 1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one?
The InChIKey is FENADDSUGMNFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O5Si2/c1-25(21-17-13-9-11-15-19-23-33(7,29-3)30-4)27(28)26(2)22-18-14-10-12-16-20-24-34(8,31-5)32-6/h25-26H,9-24H2,1-8H3.
What are the key properties of 1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one?
1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one has a molecular weight of 518.93 g/mol, XLogP of 8.02, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,19-bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one is sourced from PubChem (CID 87593483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).